pentadecoxycyclopentane

C20H40O — CID 155570194

IUPACpentadecoxycyclopentane
SMILESCCCCCCCCCCCCCCCOC1CCCC1
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-21-20-17-14-15-18-20/h20H,2-19H2,1H3
InChIKeyFGNGIRHMUGQEMK-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.04
Rot. Bonds15

About pentadecoxycyclopentane

pentadecoxycyclopentane (PubChem CID 155570194) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is pentadecoxycyclopentane.

Molecular Properties

Compound Namepentadecoxycyclopentane
PubChem CID155570194
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Namepentadecoxycyclopentane
SMILESCCCCCCCCCCCCCCCOC1CCCC1
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-21-20-17-14-15-18-20/h20H,2-19H2,1H3
InChIKeyFGNGIRHMUGQEMK-UHFFFAOYSA-N
XLogP7.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octoxycyclopentane
CID 14691467
heptoxycyclopropane
CID 54099544
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
butoxycyclobutane
CID 54057236
1-ethoxy-4-hexoxycyclohexane
CID 147022477
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
butoxycyclopentane;ethane-1,2-diol
CID 174670164
1-(cycloheptyloxymethyl)-4-dodecoxycycloheptane
CID 91616970
10-butoxycyclooctadecan-1-ol
CID 91298202
1-ethyl-4-hexoxycyclohexane
CID 142019346
4-pentoxypiperidine
CID 43167830
propoxycyclooctane
CID 54078990

Frequently Asked Questions

What is the IUPAC name of pentadecoxycyclopentane?
The IUPAC name of pentadecoxycyclopentane (CID 155570194) is pentadecoxycyclopentane.
What is the SMILES notation for pentadecoxycyclopentane?
The canonical SMILES for pentadecoxycyclopentane is CCCCCCCCCCCCCCCOC1CCCC1.
What is the InChIKey of pentadecoxycyclopentane?
The InChIKey is FGNGIRHMUGQEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-21-20-17-14-15-18-20/h20H,2-19H2,1H3.
What are the key properties of pentadecoxycyclopentane?
pentadecoxycyclopentane has a molecular weight of 296.54 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecoxycyclopentane is sourced from PubChem (CID 155570194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).